1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine

C8H18N4 — CID 62412139

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN(C)C1CC1
InChIInChI=1S/C8H18N4/c1-10-8(9)11-5-6-12(2)7-3-4-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyAVQJRHIQQUOBAV-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.39
Rot. Bonds4

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine

1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine (PubChem CID 62412139) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine
PubChem CID62412139
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN(C)C1CC1
InChIInChI=1S/C8H18N4/c1-10-8(9)11-5-6-12(2)7-3-4-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyAVQJRHIQQUOBAV-UHFFFAOYSA-N
XLogP-0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine (CID 62412139) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine is C/N=C(\N)NCCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine?
The InChIKey is AVQJRHIQQUOBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-10-8(9)11-5-6-12(2)7-3-4-7/h7H,3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine?
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine has a molecular weight of 170.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 62412139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).